| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046881
BDB046881
|
BDBM50151924
[C]Oc1c([C][C]=C([C])[C])c([O])c(C([O])=O)c([C][C]c2ccccc2)c1[C][C]=C([C])[C]
|
C26H5O4 381.322000 |
OLWYGIARUPPXIS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50151924
|
Local ready
Direct docking supported
|
|
E3L046882
BDB046882
|
BDBM50152029
O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(Cl)cc5)CC4)cn3)nccc12
|
C24H25ClN6O 448.958000 |
MIHKHZZRKYZHJU-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50152029; PubChem:CID135567112
|
Local ready
Direct docking supported
|
|
E3L046883
BDB046883
|
BDBM50152097
CN(CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1ccc(F)cc1
|
C20H19FN6O 378.411000 |
NLGUSOLKPNWPKR-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50152097; PubChem:CID135567108
|
Local ready
Direct docking supported
|
|
E3L046884
BDB046884
|
BDBM50152119
O=C(O)c1ccnc(CNCc2ccco2)c1
|
C12H12N2O3 232.239000 |
WAXTXDDUSDCZNA-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50152119; PubChem:CID73670714
|
Local ready
Direct docking supported
|
|
E3L046885
BDB046885
|
Lobeglitazone
COc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1
|
C24H24N4O5S 480.546000 |
CHHXEZSCHQVSRE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50152829; PubChem:CID9826451
|
Local ready
Direct docking supported
|
|
E3L046886
BDB046886
|
Palmitic Acid
CCCCCCCCCCCCCCCC(=O)O
|
C16H32O2 256.430000 |
IPCSVZSSVZVIGE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50152850; PubChem:CID985
|
Local ready
Direct docking supported
|
|
E3L046887
BDB046887
|
BDBM50153068
CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
|
C16H13N3O3S2 359.432000 |
LDOMGDKVTKQVGP-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153068; PubChem:CID22581416
|
Local ready
Direct docking supported
|
|
E3L046888
BDB046888
|
BDBM50153069
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(F)cc5)CC4)cn3)nccc12
|
C23H23FN6O 418.476000 |
DUTYNXONGTVYED-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153069; PubChem:CID137175177
|
Local ready
Direct docking supported
|
|
E3L046889
BDB046889
|
BDBM50153070
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(Cl)cc5)CC4)cn3)nccc12
|
C23H23ClN6O 434.931000 |
SQDIBEJSOSAPGF-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153070; PubChem:CID135567110
|
Local ready
Direct docking supported
|
|
E3L046890
BDB046890
|
BDBM50153071
O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5noc(C6CC6)n5)CC4)cn3)nccc12
|
C23H26N8O2 446.515000 |
FWXNBMPVCHFMRX-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153071; PubChem:CID137175176
|
Local ready
Direct docking supported
|
|
E3L046891
BDB046891
|
BDBM50153072
O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5cccnc5)CC4)cn3)nccc12
|
C23H25N7O 415.501000 |
KWVQXVRPRJIRSJ-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153072; PubChem:CID137175175
|
Local ready
Direct docking supported
|
|
E3L046892
BDB046892
|
BDBM50153073
O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc6c(c5)OCO6)CC4)cn3)nccc12
|
C25H26N6O3 458.522000 |
UZFOOEZHJLPYBL-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153073; PubChem:CID137175140
|
Local ready
Direct docking supported
|
|
E3L046893
BDB046893
|
BDBM50153074
COc1cccc(CC2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1
|
C25H28N6O2 444.539000 |
LHYVGHNYNLLNOV-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153074; PubChem:CID137175253
|
Local ready
Direct docking supported
|
|
E3L046894
BDB046894
|
BDBM50153075
O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(Cl)c(Cl)c5)CC4)cn3)nccc12
|
C24H24Cl2N6O 483.403000 |
DDRYBCASNXOENV-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153075; PubChem:CID137175252
|
Local ready
Direct docking supported
|
|
E3L046895
BDB046895
|
BDBM50153076
O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(C(F)(F)F)cc5)CC4)cn3)nccc12
|
C25H25F3N6O 482.510000 |
RZAREOJWVVYJGA-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153076; PubChem:CID137175251
|
Local ready
Direct docking supported
|
|
E3L046896
BDB046896
|
BDBM50153077
O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(F)cc5)CC4)cn3)nccc12
|
C24H25FN6O 432.503000 |
AIEULFAFWDPGEJ-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153077; PubChem:CID137175250
|
Local ready
Direct docking supported
|
|
E3L046897
BDB046897
|
BDBM50153078
O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccccc5)CC4)cn3)nccc12
|
C24H26N6O 414.513000 |
FBNVHXXPQQVJCQ-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153078; PubChem:CID137175249
|
Local ready
Direct docking supported
|
|
E3L046898
BDB046898
|
BDBM50153089
CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
|
C17H15N3O3S2 373.459000 |
HWSOTKWEUSESOC-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153089; PubChem:CID22581449
|
Local ready
Direct docking supported
|
|
E3L046899
BDB046899
|
BDBM50153092
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cc(Cl)cc(Cl)c5)CC4)cn3)nccc12
|
C23H22Cl2N6O 469.376000 |
RLRGPZGIQMEBLC-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153092; PubChem:CID135567115
|
Local ready
Direct docking supported
|
|
E3L046900
BDB046900
|
BDBM50153093
O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccs5)CC4)cn3)nccc12
|
C21H22N6OS 406.515000 |
XIVQRYFYMNIDET-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50153093; PubChem:CID137175210
|
Local ready
Direct docking supported
|